N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide

C19H22N2O2S — CID 134146126

IUPACN-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
SMILESC#CCN1CCCC(CNS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H22N2O2S/c1-2-11-21-12-5-6-16(15-21)14-20-24(22,23)19-10-9-17-7-3-4-8-18(17)13-19/h1,3-4,7-10,13,16,20H,5-6,11-12,14-15H2
InChIKeyUWQSVNKQBCCLCY-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.46
Rot. Bonds5

About N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide

N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 134146126) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
PubChem CID134146126
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
SMILESC#CCN1CCCC(CNS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H22N2O2S/c1-2-11-21-12-5-6-16(15-21)14-20-24(22,23)19-10-9-17-7-3-4-8-18(17)13-19/h1,3-4,7-10,13,16,20H,5-6,11-12,14-15H2
InChIKeyUWQSVNKQBCCLCY-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
CID 134133379
N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 20599120
N-[[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]naphthalene-2-sulfonamide
CID 11943430
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 126468259
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
CID 155295839
4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 45226658
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130

Frequently Asked Questions

What is the IUPAC name of N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide (CID 134146126) is N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide is C#CCN1CCCC(CNS(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is UWQSVNKQBCCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-11-21-12-5-6-16(15-21)14-20-24(22,23)19-10-9-17-7-3-4-8-18(17)13-19/h1,3-4,7-10,13,16,20H,5-6,11-12,14-15H2.
What are the key properties of N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide?
N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 134146126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).